Geometry & MOs

Info

ID:	244652
PubChem CID:	99376241
Reduced:	ClO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	415.155492
ΔH_f, kcal/mol:	-50.69
Dipole, Da:	5.99
IP(EA), eV:	-9.27(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[4-(difluoromethoxy)-5-methoxy-2-nitrobenzoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)C2=NN(C(=C2)C3=CC=CO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations